4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

C13H24N2O3 — CID 65299800

IUPAC4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)CC(C)(C)C(=O)O)C1CCNCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(10-5-7-14-8-6-10)11(16)9-13(2,3)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyVGSLTSITUGFYBP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds5

About 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299800) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299800
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)CC(C)(C)C(=O)O)C1CCNCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(10-5-7-14-8-6-10)11(16)9-13(2,3)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18)
InChIKeyVGSLTSITUGFYBP-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-dimethyl-N-piperidin-4-ylpropanamide
CID 60805901
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
CID 63646801
3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 43603425
N-ethyl-N-piperidin-4-ylpent-4-enamide
CID 62679497
2-cyclopent-2-en-1-yl-N-ethyl-N-piperidin-4-ylacetamide
CID 54923345
N-ethyl-3,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide
CID 63833754
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61403575
3,3,3-trifluoro-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824721
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65299800) is 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCN(C(=O)CC(C)(C)C(=O)O)C1CCNCC1.
What is the InChIKey of 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is VGSLTSITUGFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(10-5-7-14-8-6-10)11(16)9-13(2,3)12(17)18/h10,14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-4-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).